SCHEMBL19964077

SCHEMBL19964077

COCCNc1cncc(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.38
▸ HTR7 P34969 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ KCNH3 Q9ULD8 3/20 0.36
▸ BRAF P15056 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NCF1 P14598 1/20 0.35
▸ RIPK2 O43353 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 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
SCHEMBL12017843 0.78 ATM (0.40) HTR7KCNH3ALDH1A1MAPTHTT
SCHEMBL31313551 0.77 HTR7 (0.38) HTR7KCNH3ALDH1A1MAPTHTT
SCHEMBL13762197 0.75 HRH3 (0.51) HRH3RXFP1KCNH3ALDH1A1MEN1
SCHEMBL21064122 0.75 HRH3 (0.36) HRH3CYP3A4
SCHEMBL12015779 0.74 HTR7 (0.45) HTR7KCNH3ALDH1A1NCF1RIPK2
SCHEMBL13762190 0.74 MAPT (0.49) HRH3KCNH3ALDH1A1MEN1MAPT
SCHEMBL12412535 0.71 KCNH3 (0.41) KCNH3ALDH1A1MEN1MAPTHTT
SCHEMBL22010700 0.71 ALDH1A1 (0.46) HRH3ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL6086824 0.71 ALPL (0.46) ALDH1A1RIPK2HCAR3KDM4E
SCHEMBL14005537 0.70 RXFP1 (0.41) RXFP1BRAFALDH1A1MEN1MAPT

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-11136386-B2 Methods of treating Crohn's disease or ulcerative colitis by administering inhibitors of tumor necrosis factor-like cytokine 1A (TL1A) PROMETHEUS BIOSCIENCES, INC. (US) 2021-10-05 — — US disclosed
US-20210277477-A1 METHODS OF TREATING REFRACTORY INFLAMMATORY DISEASE USING TRANSCRIPTOMIC AND GENETIC RISK SIGNATURES CEDARS-SINAI MEDICAL CENTER 2021-09-09 — — US disclosed
US-20210101988-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES CEDARS-SINAI MEDICAL CENTER 2021-04-08 — — US disclosed
US-20210079473-A1 METHODS AND SYSTEMS FOR CHARACTERIZING SEVERE CROHN'S DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-03-18 — — US disclosed
US-20200362025-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES CEDARS-SINAI MEDICAL CENTER 2020-11-19 — — US disclosed
US-20180072703-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-15 — — 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 (4 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-20200362025-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES TLL1, TLN1, TSG101 HRH3 4185/4885HTR7 3505/4885RXFP1 3861/4885
US-20210101988-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES TLL1, TLN1, TSG101 HRH3 4185/4885HTR7 3505/4885RXFP1 3861/4885
US-11136386-B2 Methods of treating Crohn's disease or ulcerative colitis by administering inhibitors of tumor necrosis factor-like cytokine 1A (TL1A) LTA, TLL1, TNF HRH3 3857/4885HTR7 3238/4885RXFP1 1601/4885
US-20180072703-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK4 HRH3 870/4885HTR7 2470/4885RXFP1 1059/4885

“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.

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