SCHEMBL2600364

SCHEMBL2600364

CC(C)NCCCCNC(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
ADRB2 P07550 1/20 0.38
HTR1B P28222 1/20 0.36
NR2E1 Q9Y466 1/20 0.36
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GRIA1 P42261 3/20 0.33
CACNA2D1 P54289 1/20 0.33

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
SCHEMBL4789143 0.96 HRH4 (0.45) HRH4HRH3ADRB2HTR1BNR2E1
SCHEMBL2479475 0.96 HRH4 (0.45) HRH4HRH3ADRB2HTR1BNR2E1
SCHEMBL19350614 0.96 HRH4 (0.45) HRH4HRH3ADRB2HTR1BNR2E1
SCHEMBL841330 0.96 HRH4 (0.45) HRH4HRH3ADRB2HTR1BNR2E1
SCHEMBL754871 0.96 HRH4 (0.45) HRH4HRH3ADRB2HTR1BNR2E1
SCHEMBL479263 0.92 HRH4 (0.39) HRH4HRH3ADRB2HTR1BNR2E1
SCHEMBL987491 0.87
SCHEMBL11044686 0.87 CYP2C19 (0.48) HRH4HRH3ADRB2HTR1BNR2E1
SCHEMBL12319688 0.87 CYP2C19 (0.48) HRH4HRH3ADRB2HTR1BNR2E1
SCHEMBL11293486 0.87 EPHX1 (0.46) HRH4HRH3ADRB2HTR1BNR2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116920-A1 PENTA- FUSED HEXA-HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 杭州多域生物技术有限公司 2023-06-29 WO disclosed
US-20200055883-A1 CYCLIC DI-NUCLEOTIDES DERIVATIVE FOR THE TREATMENT OF CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-02-20 US disclosed
US-10246480-B2 Compounds for the treatment of cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-04-02 US disclosed
US-20180162784-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2018-06-14 US disclosed
US-9850183-B2 Conjugates derived from non-steroidal anti-inflammatory drugs and methods of use thereof in imaging Reiley Pharmaceuticals, Inc. (US) 2017-12-26 US disclosed
US-8372833-B2 Urea derivative SHIONOGI & CO., LTD. (JP) 2013-02-12 US disclosed
US-20120095231-A1 UREA DERIVATIVE YANO TOSHISADA (JP) 2012-04-19 US disclosed
US-8088777-B2 Urea derivative SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20090203712-A1 Urea Derivative SHIONOGI &CO., LTD. 2009-08-13 US disclosed
US-20090111737-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2009-04-30 US disclosed
US-4720580-A N-(aminoalkylene)benzenesulfonamides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-01-19 US disclosed
US-4340712-A Process for the preparation of polyisocyanates containing biuret and/or higher polyuret groups and use thereof as synthesis component in the preparation of polyurethane plastics BAYER AKTIENGESELLSCHAFT (DE) 1982-07-20 US disclosed
EP-0012973-B1 PROCESS FOR THE PREPARATION OF BI- AND/OR POLYURET-POLYISOCYANATES; PRODUCTS OBTAINED BY THIS PROCESS AND THEIR USE IN THE PREPARATION OF POLYURETHANES BAYER AG (DE) 1981-07-15 EP disclosed
EP-0012973-A1 Process for the preparation of bi- and/or polyuret-polyisocyanates; products obtained by this process and their use in the preparation of polyurethanes BAYER AG (DE) 1980-07-09 EP disclosed
US-3943158-A POLYURETHANE MONOMERS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-09 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 (6 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-20180162784-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS HRH4 2009/4885HRH3 2428/4885ADRB2 3654/4885
US-20120095231-A1 UREA DERIVATIVE NPY5R, NPY1R, NPY2R HRH4 90/4885HRH3 140/4885ADRB2 256/4885
US-10246480-B2 Compounds for the treatment of cancer TP53, MYC, CDC73 HRH4 3999/4885HRH3 3893/4885ADRB2 4482/4885
US-20200055883-A1 CYCLIC DI-NUCLEOTIDES DERIVATIVE FOR THE TREATMENT OF CANCER NME4, NME2, DPYD HRH4 3249/4885HRH3 3513/4885ADRB2 4094/4885
US-20090203712-A1 Urea Derivative NPY5R, NPY1R, NPY2R HRH4 91/4885HRH3 145/4885ADRB2 263/4885
US-20090111737-A1 Novel antibacterial agents ENGASE, PGLS, PEPD HRH4 4031/4885HRH3 4422/4885ADRB2 4690/4885

“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.