SCHEMBL13878152

SCHEMBL13878152

C1CC2CCCC(C1)CNC2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.38
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35
MAN1B1 Q9UKM7 1/20 0.33
CHRNA7 P36544 1/20 0.31
FUCA1 P04066 2/20 0.30
GBA1 P04062 2/20 0.30
GLA P06280 2/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GAA P10253 1/20 0.30
GLB1 P16278 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8327948 0.96 CCR5 (0.35) CCR5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25891553 0.89 CCR5 (0.35) CCR5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4544653 0.86
SCHEMBL27605 0.86
SCHEMBL212630 0.84
SCHEMBL2388239 0.84
Hydrochloric Acid SCHEMBL18225213 0.83 CHRNB2 (0.41) CCR5CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL7452837 0.80 CCR5 (0.40) CCR5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14660960 0.79 CHRNB2 (0.42) CCR5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8657415 0.75 CCR5 (0.43) CCR5CHRNB2CHRNB4CHRNA3CHRNA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208932-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-06-27 US disclosed
EP-4389742-A1 BENZO NITROGEN-CONTAINING HETEROAROMATIC RING DERIVATIVE AND USE THEREOF IN MEDICINE Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-06-26 EP disclosed
US-20240067633-A1 KETOHEXOKINASE INHIBITOR AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-02-29 US disclosed
US-20240067633-A1 KETOHEXOKINASE INHIBITOR AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-02-29 US disclosed
US-20230357193-A1 COMPOUND CAPABLE OF INHIBITING AND DEGRADING ANDROGEN RECEPTORS, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICAL USES THEREOF XIZANG HAISCO PHARMACEUTICALS CO., LTD. (CN) 2023-11-09 US disclosed
US-20230357193-A1 COMPOUND CAPABLE OF INHIBITING AND DEGRADING ANDROGEN RECEPTORS, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICAL USES THEREOF XIZANG HAISCO PHARMACEUTICALS CO., LTD. (CN) 2023-11-09 US disclosed
US-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof HAISCO PHARMACEUTICALS PTE. LTD. (SG) 2023-11-07 US disclosed
US-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof HAISCO PHARMACEUTICALS PTE. LTD. (SG) 2023-11-07 US disclosed
EP-4269399-A1 FIVE-MEMBERED RING DERIVATIVE AND MEDICAL USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-11-01 EP disclosed
EP-4269404-A1 KETOHEXOKINASE INHIBITOR AND USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-11-01 EP disclosed
US-20170121338-A1 AMINO PRYAN RING DERIVATIVE AND COMPOSITION AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD (CN) 2017-05-04 US disclosed
EP-3159344-A1 AMINO PYRANOID RING DERIVATIVE AND COMPOSITION AND USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2017-04-26 EP disclosed
WO-2016029839-A1 (SUBSTITUTED PHENYL) (SUBSTITUTED PYRIMIDINE) AMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICATION USE 四川海思科制药有限公司 2016-03-03 WO disclosed
WO-2015192701-A1 AMINO PYRANOID RING DERIVATIVE AND COMPOSITION AND USE THEREOF 四川海思科制药有限公司 2015-12-23 WO disclosed
WO-2015192714-A1 PYRROLOIMIDAZOLE RING DERIVATIVE AND MEDICAL APPLICATION THEREOF 四川海思科制药有限公司 2015-12-23 WO disclosed
US-20090099252-A1 NOVEL LAULIMALIDE ANALOGUES AS THERAPEUTIC AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-16 US disclosed
US-20090099252-A1 NOVEL LAULIMALIDE ANALOGUES AS THERAPEUTIC AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-16 US disclosed
WO-2009023123-A1 NOVEL LAULIMALIDE ANALOGUES AS THERAPEUTIC AGENTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-02-19 WO disclosed
US-20080280973-A1 Laulimalide Analogues as Therapeutic Agents THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2008-11-13 US disclosed
US-20080280973-A1 Laulimalide Analogues as Therapeutic Agents THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2008-11-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof DPP4, DPP3, DPP9 CCR5 886/4885CHRNB2 2595/4885CHRNB4 1618/4885
US-20240208932-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF GPER1, ESR1, ESRRA CCR5 2729/4885CHRNB2 3242/4885CHRNB4 2787/4885
US-20170121338-A1 AMINO PRYAN RING DERIVATIVE AND COMPOSITION AND USE THEREOF DPP4, DPP8, DPP3 CCR5 3651/4885CHRNB2 4449/4885CHRNB4 3136/4885
US-20230357193-A1 COMPOUND CAPABLE OF INHIBITING AND DEGRADING ANDROGEN RECEPTORS, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICAL USES THEREOF AR, CYP17A1, KLK3 CCR5 1885/4885CHRNB2 3960/4885CHRNB4 4176/4885
US-20080280973-A1 Laulimalide Analogues as Therapeutic Agents TUBB6, MAN2B1, TUBB1 CCR5 3961/4885CHRNB2 4497/4885CHRNB4 4506/4885
US-20090099252-A1 NOVEL LAULIMALIDE ANALOGUES AS THERAPEUTIC AGENTS TUBB6, TUBB1, TUBA1C CCR5 4156/4885CHRNB2 4377/4885CHRNB4 4411/4885
US-20240067633-A1 KETOHEXOKINASE INHIBITOR AND USE THEREOF KHK, GCK, HK1 CCR5 3326/4885CHRNB2 4739/4885CHRNB4 4752/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.