SCHEMBL855681

SCHEMBL855681

Cc1ccc(CCN)c(C)c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.69
HTR2A P28223 2/20 0.50
HTR1D P28221 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2A6 P11509 1/20 0.48
PYCR1 P32322 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL30251350 1.00 TAAR1 (0.69) TAAR1HTR2AHTR1DCYP1A2CYP2A6
Hydrochloric Acid SCHEMBL18448337 0.98 TAAR1 (0.67) TAAR1HTR2AHTR1DCYP1A2CYP2A6
Hydrochloric Acid SCHEMBL31019690 0.98 TAAR1 (0.67) TAAR1HTR2AHTR1DCYP1A2CYP2A6
SCHEMBL3903774 0.87 TAAR1 (0.53) TAAR1HTR2AHTR1DCYP1A2CYP2A6
SCHEMBL6547406 0.85 TAAR1 (0.48) TAAR1CYP1A2CYP2A6PYCR1ALDH1A1
SCHEMBL8910791 0.85 TAAR1 (0.52) TAAR1HTR2AHTR1DCYP1A2CYP2A6
SCHEMBL11331960 0.84 TAAR1 (0.50) TAAR1HTR2AHTR1DCYP1A2CYP2A6
SCHEMBL11329915 0.84 TAAR1 (0.50) TAAR1HTR2AHTR1DCYP1A2CYP2A6
SCHEMBL11329871 0.84 TAAR1 (0.50) TAAR1HTR2AHTR1DCYP1A2CYP2A6
SCHEMBL11337231 0.84 TAAR1 (0.50) TAAR1HTR2AHTR1DCYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP claimed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
US-12552748-B2 Pyridine (thio)amides as fungicidal compounds BAYER AKTIENGESELLSCHAFT (DE) 2026-02-17 US disclosed
US-20250064060-A1 BIS(HETERO)ARYL THIOETHER (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2025-02-27 US disclosed
EP-4426677-A1 BIS(HETERO)ARYL THIOETHER (THIO)AMIDES AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2024-09-11 EP disclosed
CN-118265702-A Microbiocidal isonicotinamide derivatives 先正达农作物保护股份公司 2024-06-28 CN disclosed
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-20240182420-A1 MICROBIOCIDAL ISONICOTINIC AMIDE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-06-06 US disclosed
EP-0671928-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1995-09-20 EP disclosed
US-5447916-A Hypotensive agents CHIRON CORPORATION (US) 1995-09-05 US disclosed
WO-1995004072-A1 PEPTOID ALPHA-1 ADRENERGIC RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-02-09 WO disclosed
WO-1994006451-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1994-03-31 WO disclosed
EP-0114374-B1 SUBSTITUTED 4-AMINOMETHYLENE CHROMANS OR CHROMENES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1986-07-23 EP disclosed
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
EP-0114374-A1 Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines BAYER AG (DE) 1984-08-01 EP 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 (5 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-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK TAAR1 3775/4885HTR2A 2748/4885HTR1D 4095/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 TAAR1 1932/4885HTR2A 1200/4885HTR1D 216/4885
US-20250064060-A1 BIS(HETERO)ARYL THIOETHER (THIO)AMIDES AS FUNGICIDAL COMPOUNDS TST, TPMT, NAT1 TAAR1 277/4885HTR2A 3382/4885HTR1D 3629/4885
US-12552748-B2 Pyridine (thio)amides as fungicidal compounds CBR1, CBR3, TH TAAR1 448/4885HTR2A 4211/4885HTR1D 1269/4885
US-20240182420-A1 MICROBIOCIDAL ISONICOTINIC AMIDE DERIVATIVES ARG2, MPO, ARG1 TAAR1 1728/4885HTR2A 3913/4885HTR1D 2983/4885

“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.