SCHEMBL22736596

SCHEMBL22736596

CC(C)N1CCCc2ccncc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM3 P20309 2/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
JAK2 O60674 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 3/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
CHRM4 P08173 1/20 0.36
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NPSR1 Q6W5P4 3/20 0.34

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
SCHEMBL17953966 0.90 HTR2A (0.40) SIGMAR1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL14494879 0.87 CHRM2 (0.46) SIGMAR1CHRM2CHRM3POLBHSD17B10
SCHEMBL24651359 0.81 CHRM2 (0.46) SIGMAR1CHRM2CHRM3JAK2CHRM1
SCHEMBL25061880 0.81 CHRM2 (0.46) SIGMAR1CHRM2CHRM3JAK2CHRM1
SCHEMBL16998410 0.77 SIGMAR1 (0.48) SIGMAR1HTR2AHTR2CHTR2BCHRM2
SCHEMBL24315798 0.77 JAK2 (0.33) JAK2ALDH1A1TSHRNPSR1HTT
SCHEMBL22349243 0.76 NOTUM (0.41) SIGMAR1CHRM2CHRM3CHRM1CHRNB2
SCHEMBL255037 0.75 NOTUM (0.50) SIGMAR1ALDH1A1TSHRNPSR1HTT
SCHEMBL20690889 0.74 ADORA2A (0.41) SIGMAR1HTR2AHTR2CHTR2BCYP11B2
SCHEMBL17806347 0.74 NOTUM (0.46) ALDH1A1NPSR1CYP11B2

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 4 patents. 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-20230060004-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-02-23 US disclosed
WO-2022081925-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
US-20200375987-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2020-12-03 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 (3 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-20230060004-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK SIGMAR1 3848/4885HTR2A 3976/4885HTR2C 3180/4885
US-20200375987-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF SLC11A2, MMP12, LCT SIGMAR1 2084/4885HTR2A 4658/4885HTR2C 4797/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 SIGMAR1 3709/4885HTR2A 3473/4885HTR2C 3679/4885

“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.