SCHEMBL12176222

SCHEMBL12176222

COc1ccc(C2C(C(=O)Nc3cccc(C(C)(C)C)c3)CCCN2C(=O)c2ccccc2C)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ACSS2 Q9NR19 1/20 0.38
▸ UBE2M P61081 3/20 0.38
▸ DCUN1D1 Q96GG9 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38

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
SCHEMBL14959032 0.93 HTT (0.41) HSD17B10HTTNPSR1TDP1MAPT
SCHEMBL18609356 0.93 HTT (0.41) HSD17B10HTTNPSR1TDP1MAPT
SCHEMBL21163631 0.93 HTT (0.41) HSD17B10HTTNPSR1TDP1MAPT
SCHEMBL13060068 0.93 HTT (0.41) HSD17B10HTTNPSR1TDP1MAPT
SCHEMBL12176071 0.92 EPHX2 (0.41) HTTNPSR1TDP1MAPTCRHBP
SCHEMBL12176058 0.92 HTT (0.42) HSD17B10HTTNPSR1TDP1MAPT
SCHEMBL20879813 0.88 CYP2C9 (0.46) HSD17B10HTTNPSR1TDP1MAPT
SCHEMBL14959027 0.88 CYP2C9 (0.46) HSD17B10HTTNPSR1TDP1MAPT
SCHEMBL2591188 0.87 HSD17B10 (0.53) HSD17B10NPSR1MAPTLMNAKMT2A
SCHEMBL12160772 0.87 HSD17B10 (0.53) HSD17B10NPSR1MAPTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102258-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2023-03-30 — — US disclosed
US-20170114017-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2017-04-27 — — US disclosed
US-9573897-B2 C5AR antagonists CHEMOCENTRYX, INC. (US) 2017-02-21 — — US disclosed
US-20160229802-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2016-08-11 — — US disclosed
US-9126939-B2 C5AR antagonists CHEMOCENTRYX, INC. 2015-09-08 — — US disclosed
US-20130172347-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2013-07-04 — — US disclosed
US-20110275639-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2011-11-10 — — US disclosed
US-20100311753-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2010-12-09 — — 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 (6 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-20110275639-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 HSD17B10 4597/4885HTT 3069/4885NPSR1 138/4885
US-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 HSD17B10 4597/4885HTT 3069/4885NPSR1 138/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 HSD17B10 4597/4885HTT 3069/4885NPSR1 138/4885
US-20230102258-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 HSD17B10 4597/4885HTT 3069/4885NPSR1 138/4885
US-20100311753-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 HSD17B10 4597/4885HTT 3069/4885NPSR1 138/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 HSD17B10 4597/4885HTT 3069/4885NPSR1 138/4885

“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.

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