SCHEMBL5075726

SCHEMBL5075726

CNCCOc1ccc(C)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.61
DRD4 P21917 1/20 0.61
DRD3 P35462 1/20 0.61
HTR1B P28222 3/20 0.55
HTR1D P28221 1/20 0.55
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
Hydrochloric Acid SCHEMBL21595615 0.98 DRD2 (0.59) DRD2DRD4DRD3HTR1BHTR1D
Formic Acid SCHEMBL5073493 0.90 DRD2 (0.56) DRD2DRD4DRD3HTR1BHTR1D
SCHEMBL18295382 0.85 HTR1B (0.52) DRD2DRD4DRD3HTR1BHTR1D
Hydrochloric Acid SCHEMBL21595601 0.84 HTR1B (0.50) DRD2DRD4DRD3HTR1BHTR1D
SCHEMBL13589881 0.84 ALDH1A1 (0.63) DRD2DRD4DRD3HTR1BHTR1D
SCHEMBL21601465 0.84 HTR1B (0.50) DRD2DRD4DRD3HTR1BHTR1D
SCHEMBL7348310 0.84 HTR1B (0.50) DRD2DRD4DRD3HTR1BHTR1D
SCHEMBL3763682 0.83 DRD2 (0.58) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL11444962 0.83 DRD2 (0.59) DRD2DRD4DRD3ALDH1A1LMNA
Hydrochloric Acid SCHEMBL21595618 0.82 HTR1B (0.49) DRD2DRD4DRD3HTR1BHTR1D

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119376-A1 TRICYCLIC COMPOUNDS ACTING ON CRBN PROTEINS CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-04-21 US disclosed
EP-3848367-A1 TRICYCLIC COMPOUNDS ACTING ON CRBN PROTEINS Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-07-14 EP disclosed
WO-2019244066-A2 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-12-26 WO disclosed
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS, LTD. (CH) 2008-12-18 US disclosed
US-7427613-B2 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension, cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2008-09-23 US disclosed
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 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 (3 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-20220119376-A1 TRICYCLIC COMPOUNDS ACTING ON CRBN PROTEINS CRBN, CSNK2A1, CSNK2A2 DRD2 4621/4885DRD4 4606/4885DRD3 4339/4885
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE DRD2 2061/4885DRD4 2268/4885DRD3 966/4885
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES REN, AGTR1, ACE DRD2 2061/4885DRD4 2268/4885DRD3 966/4885

“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.