SCHEMBL9893145

SCHEMBL9893145

CC1CCC(=O)N1c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
SRD5A1 P18405 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CNR2 P34972 3/20 0.43
NOTUM Q6P988 1/20 0.43
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
CCR1 P32246 1/20 0.40
CCR2 P41597 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL22658820 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3SRD5A1ALDH1A1
SCHEMBL16254981 0.90 CNR2 (0.45) SLC6A2SLC6A4SLC6A3SRD5A1ALDH1A1
SCHEMBL4636834 0.84 GAA (0.46) SLC6A2SLC6A4SLC6A3LMNAMEN1
SCHEMBL9892974 0.83 L3MBTL1 (0.53) SLC6A2SLC6A4SLC6A3MEN1MAPT
SCHEMBL25416662 0.82 ALDH1A1 (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL11112763 0.82 ESR1 (0.49) SLC6A2SLC6A4SLC6A3KMT2ATDP1
SCHEMBL16480393 0.82 TDP1 (0.47) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL30912507 0.82 ALDH1A1 (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL30912518 0.82 ALDH1A1 (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL10131414 0.82 CYP3A4 (0.41) SLC6A2SLC6A4SLC6A3LMNAMEN1

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-4306529-A2 FGFR INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2024-01-17 EP disclosed
EP-4306529-A2 FGFR INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2024-01-17 EP disclosed
WO-2020231990-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2020-11-19 WO disclosed
CN-108129372-A A kind of method for preparing cyclic lactam derivative 中国科学院大连化学物理研究所 2018-06-08 CN disclosed
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 SLC6A2 2741/4885SLC6A4 2426/4885SLC6A3 2367/4885
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH SLC6A2 3123/4885SLC6A4 2606/4885SLC6A3 2495/4885

“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.