SCHEMBL10277092

SCHEMBL10277092

[C]1c2ccccc2CCC1c1ccc2cccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.40
IL1RN P18510 1/20 0.40
ERAP2 Q6P179 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
HTR1A P08908 5/20 0.38
HTR7 P34969 5/20 0.38
PRCP P42785 1/20 0.36
CYP11B2 P19099 1/20 0.33
CYP26A1 O43174 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
SCHEMBL1634692 0.75 CYP11B2 (0.41) PRCPCYP11B2
SCHEMBL4931080 0.74 CYP1A2 (0.40) CYP11B2
SCHEMBL5591709 0.73 GAA (0.43)
SCHEMBL3952833 0.73 BCL2L1 (0.39) HTR1AHTR7PRCPCYP11B2
SCHEMBL3653495 0.68 PLAU (0.41) ANPEPCYP11B2
SCHEMBL29187306 0.67 ADRA1A (0.45) ANPEPIL1RNERAP2ERAP1HTR1A
SCHEMBL5715615 0.67 POLB (0.38)
SCHEMBL5591941 0.67 HTR2C (0.38)
SCHEMBL4289135 0.67 DRD2 (0.37)
SCHEMBL7610196 0.66 SLC6A2 (0.36) HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 EP disclosed
US-9593197-B2 Trigger-responsive chain-shattering polymers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-03-14 US disclosed
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 EP disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 US disclosed
EP-2635578-B1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES HENGRUI USA LTD (US) 2015-12-16 EP disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 WO disclosed
US-20150141453-A1 Trigger-Responsive Chain-Shattering Polymers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-05-21 US disclosed
US-8871767-B2 2-arylimidazo[1,2-B]pyridazine, 2-phenylimidazo[1,2-A]pyridine, and 2-phenylimidazo[1,2-A]pyrazine derivatives HENGRUI (USA) LTD. (US) 2014-10-28 US disclosed
US-20120178751-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES HENGRUI (USA), LTD. 2012-07-12 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-20150141453-A1 Trigger-Responsive Chain-Shattering Polymers SGTA, FUS, EWSR1 ANPEP 3167/4885IL1RN 4609/4885ERAP2 3596/4885
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC ANPEP 19/4885IL1RN 1020/4885ERAP2 981/4885
US-20120178751-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES PRXL2A, CDK2, CCNA2 ANPEP 3574/4885IL1RN 1718/4885ERAP2 3089/4885

“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.