SCHEMBL96044

SCHEMBL96044

Cc1ccc(CN)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
PYCR1 P32322 1/20 0.44
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
TNF P01375 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 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
SCHEMBL29818192 1.00 TAAR1 (0.50) TAAR1PYCR1TDP1ALDH1A1TP53
Hydrochloric Acid SCHEMBL28636536 0.98 TAAR1 (0.48) TAAR1PYCR1TDP1ALDH1A1TP53
SCHEMBL25106864 0.82 ALDH1A1 (0.41) TAAR1TDP1ALDH1A1LOXL2RAB9A
SCHEMBL25106855 0.82 ALDH1A1 (0.41) TAAR1TDP1ALDH1A1LOXL2RAB9A
SCHEMBL22859097 0.82 TAAR1 (0.52) TAAR1TDP1ALDH1A1TP53SLC6A2
SCHEMBL855681 0.81 TAAR1 (0.69) TAAR1PYCR1TDP1ALDH1A1TP53
SCHEMBL30251350 0.81 TAAR1 (0.69) TAAR1PYCR1TDP1ALDH1A1TP53
SCHEMBL111635 0.80 TAAR1 (0.68) TAAR1TDP1ALDH1A1TP53KDM4E
Hydrochloric Acid SCHEMBL31019690 0.79 TAAR1 (0.67) TAAR1PYCR1TDP1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL18448337 0.79 TAAR1 (0.67) TAAR1PYCR1TDP1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118325204-A Low-temperature-rise rubber and carbon black composition and preparation method thereof 华南理工大学 2024-07-12 CN claimed
CN-111704575-B Synthesis method of quinoline-2-thiocarboxamide compound under conditions of no catalyst and no additive 衡阳师范学院 2023-06-09 CN claimed
CN-115926893-A Recyclable cleaning agent and preparation method and application thereof 中国科学院化学研究所 2023-04-07 CN claimed
CN-112694473-A 7, 9-disubstituted berberine derivative and preparation method and application thereof 南京林业大学 2021-04-23 CN claimed
CN-111704575-A Method for synthesizing quinoline-2-thiocarbamide compound under conditions of no catalyst and no additive 衡阳师范学院 2020-09-25 CN claimed
CN-106986776-B A method of realizing that aminated compounds N- methylates using photocatalysis 中国科学院化学研究所 2019-08-16 CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
EP-4737538-A1 METHOD FOR REFINING PYROLYSIS OIL LG Chem, Ltd. (KR) 2026-05-06 EP disclosed
US-20250171582-A1 CURING AGENT COMPOSITION FOR THERMOSETTING RESIN, EPOXY RESIN COMPOSITION, AND FIBER-REINFORCED COMPOSITE MATERIAL TEIJIN LIMITED (JP) 2025-05-29 US disclosed
US-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO LTD (CN) 2025-04-10 US disclosed
EP-4471073-A1 CURING AGENT COMPOSITION FOR THERMOSETTING RESIN, EPOXY RESIN COMPOSITION, AND FIBER-REINFORCED COMPOSITE MATERIAL Teijin Limited (JP) 2024-12-04 EP disclosed
US-4031079-A Intermediates for 2-aminobenzodiazepine-5-ones MCNEIL LABORATORIES, INCORPORATED (US) 1977-06-21 US disclosed
US-4022767-A 2-Aminobenzodiazepine-5-ones MCNEIL LABORATORIES, INCORPORATED (US) 1977-05-10 US disclosed
US-4020055-A Intermediates for 2-aminobenzodiazepine-5-ones MCNEIL LABORATORIES, INCORPORATED (US) 1977-04-26 US disclosed
US-4002610-A 2-Aminobenzodiazepine-5-ones MCNEIL LABORATORIES, INCORPORATED (US) 1977-01-11 US disclosed
US-3940394-A ANTILIPEMIC SANTILLI ARTHUR A 1976-02-24 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 (2 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-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 TAAR1 2357/4885PYCR1 2448/4885TDP1 2863/4885
US-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 TAAR1 2806/4885PYCR1 1892/4885TDP1 410/4885

“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.