SCHEMBL20931702

SCHEMBL20931702

C[C@@H](N)c1cccc(C2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.41
▸ KMO O15229 1/20 0.39
▸ BCDIN3D Q7Z5W3 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ ADRB1 P08588 1/20 0.34
▸ MIF P14174 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ SOS1 Q07889 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ OPRL1 P41146 1/20 0.33

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
SCHEMBL14121280 1.00 HTR2C (0.41) HTR2CKMOBCDIN3DHDAC4HDAC2
SCHEMBL14157609 1.00 HTR2C (0.41) HTR2CKMOBCDIN3DHDAC4HDAC2
Hydrochloric Acid SCHEMBL14157452 0.98 HTR2C (0.42) HTR2CKMOBCDIN3DHDAC4HDAC2
Hydrochloric Acid SCHEMBL14121999 0.98 HTR2C (0.42) HTR2CKMOBCDIN3DHDAC4HDAC2
Hydrochloric Acid SCHEMBL20916768 0.98 HTR2C (0.42) HTR2CKMOBCDIN3DHDAC4HDAC2
SCHEMBL5760911 0.87 QDPR (0.47) ADRA1ADRD2OPRM1
SCHEMBL15566600 0.84 HTR2C (0.43) HTR2CKMOHDAC4HDAC2HDAC8
SCHEMBL9483230 0.82 HTR2C (0.47) HTR2CDRD2
SCHEMBL31085235 0.81 LMNA (0.44) HTR2CKMOHDAC4HDAC2HDAC8
SCHEMBL16961065 0.81 HTR2C (0.41) HTR2CKMOBCDIN3DHDAC4HDAC2

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
WO-2020200161-A1 SALT OF INDAZOLYL-CONTAINING TRICYCLIC DERIVATIVE AND CRYSTAL FORM THEREOF 上海翰森生物医药科技有限公司 2020-10-08 — — WO disclosed
EP-3699179-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2020-08-26 — — EP disclosed
US-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2020-08-06 — — US disclosed
WO-2019076336-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏豪森药业集团有限公司 2019-04-25 — — 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 (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-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF MAPK1, MAPK11, MAPK14 HTR2C 3737/4885KMO 979/4885BCDIN3D 2457/4885

“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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