SCHEMBL800697

SCHEMBL800697

CC(C)C(=O)N(C)C1CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
CCR5 P51681 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
POLB P06746 1/20 0.38
DPP4 P27487 1/20 0.38
DPP9 Q86TI2 1/20 0.38
BRD4 O60885 1/20 0.37
TAF1 P21675 1/20 0.37
CECR2 Q9BXF3 1/20 0.37
MCHR1 Q99705 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4546651 0.89 MCHR1 (0.46) CCR5MCHR1
SCHEMBL13954231 0.89 MCHR1 (0.46) CCR5MCHR1
SCHEMBL19502748 0.85 HTT (0.43) HTTCCR5ALDH1A1KMT2ALMNA
SCHEMBL15045205 0.85 HTT (0.43) HTTCCR5ALDH1A1KMT2ALMNA
SCHEMBL16219008 0.83 DPP4 (0.47) CCR5ALDH1A1DPP4DPP9
SCHEMBL23798138 0.83 BRD4 (0.41) HTTCCR5ALDH1A1KMT2ADPP4
SCHEMBL19419455 0.81 NPY5R (0.43) CCR5ALDH1A1DPP4DPP9MCHR1
SCHEMBL26149352 0.81 CCR5 (0.39) HTTCCR5HTR2ADPP4DPP9
SCHEMBL18907363 0.81 DPP4 (0.42) CCR5ALDH1A1DPP4DPP9
SCHEMBL23696343 0.81 CCR5 (0.51) CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
WO-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-9879003-B2 Host targeted inhibitors of dengue virus and other viruses DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-01-30 US disclosed
US-9834565-B2 Tricyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2017-12-05 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-9695172-B2 Diazepane derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-07-04 US disclosed
US-20170158710-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2017-06-08 US disclosed
US-20110130401-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME LLC 2011-05-26 US disclosed
US-20110071158-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 US disclosed
WO-2009061595-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2009-05-14 WO disclosed
WO-2009061596-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2009-05-14 WO disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
WO-2007084450-A2 CANNIBINOID RECEPTOR MODULATORS SCHERING CORPORATION (US) 2007-07-26 WO disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 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 (9 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-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R HTT 267/4885CCR5 993/4885ALDH1A1 3184/4885
US-20170158710-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD3, BRD1, BRD2 HTT 387/4885CCR5 2976/4885ALDH1A1 4717/4885
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF5B, KIF2C, KIFC1 HTT 1103/4885CCR5 3408/4885ALDH1A1 2214/4885
US-20110071158-A1 NEW COMPOUNDS CCNA1, MKI67, CCNT1 HTT 2586/4885CCR5 637/4885ALDH1A1 593/4885
US-20070197628-A1 Cannabinoid receptor modulators CNR1, CNR2, GPR18 HTT 2641/4885CCR5 1632/4885ALDH1A1 1999/4885
US-20110130401-A1 NEW CHEMICAL COMPOUNDS RB1, MKI67, CCNA1 HTT 3858/4885CCR5 1848/4885ALDH1A1 717/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 HTT 19/4885CCR5 3072/4885ALDH1A1 2267/4885
US-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 HTT 832/4885CCR5 1178/4885ALDH1A1 1563/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 HTT 832/4885CCR5 1178/4885ALDH1A1 1563/4885

“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.