SCHEMBL10899752

SCHEMBL10899752

COC(=O)Cc1ccc(N2CCNCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 2/20 0.54
ADRB1 P08588 2/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
MAPKAPK2 P49137 1/20 0.48
GFER P55789 1/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
AOC3 Q16853 2/20 0.47
LIPE Q05469 1/20 0.47

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
Hydrochloric Acid SCHEMBL7366386 0.98 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2LMNAADRB1
Hydrochloric Acid SCHEMBL7500429 0.88 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2LMNAADRB1
SCHEMBL1261694 0.86 MAPT (0.61) ALDH1A1MAPTSMN1; SMN2LMNACYP4F2
SCHEMBL4540918 0.85 ADRB1 (0.50) ALDH1A1MAPTADRB1HTR3EHTR3B
SCHEMBL8349447 0.85 ADRB1 (0.50) ALDH1A1MAPTLMNAADRB1HTR3E
SCHEMBL2370530 0.83 SMN1; SMN2 (0.60) ALDH1A1MAPTSMN1; SMN2LMNACYP4F2
SCHEMBL2650247 0.83 MAPT (0.78) ALDH1A1MAPTSMN1; SMN2LMNACYP4F2
SCHEMBL4577325 0.83 ADRB1 (0.55) ALDH1A1MAPTSMN1; SMN2LMNAADRB1
SCHEMBL10902418 0.81 MAPT (0.48) ALDH1A1MAPTSMN1; SMN2ADRB1HTR3E
SCHEMBL4541029 0.81 ITGB3 (0.59) ALDH1A1MAPTLMNAADRB1HTR3E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573961-B1 RORGAMMA MODULATORS AND USES THEREOF GENFIT (FR) 2023-10-25 EP disclosed
US-10987351-B2 RORgamma modulators and uses thereof GENFIT (FR) 2021-04-27 US disclosed
WO-2020249064-A1 COMPOUNDS FOR MODULATING FXR NANJING RUIJIE PHARMA CO., LTD. (CN) 2020-12-17 WO disclosed
WO-2020186220-A1 COMPOUNDS AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2020-09-17 WO disclosed
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 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 (1 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-10987351-B2 RORgamma modulators and uses thereof RORB, RORC, RORA ALDH1A1 761/4885MAPT 4111/4885SMN1; SMN2 4792/4885

“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.