SCHEMBL6837503

SCHEMBL6837503

COc1ccc(CNCCN2CCOCC2)c2cc(C(=O)Nc3ccc(Cl)cc3)oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
HTT P42858 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CNR1 P21554 1/20 0.49
EPHX2 P34913 4/20 0.48
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.45
ACHE P22303 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
EGFR P00533 1/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL6837750 0.92 RXFP1 (0.51) RXFP1SMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL6837577 0.92 RXFP1 (0.54) HTTNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL6838032 0.90 RXFP1 (0.49) HTTNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL6833343 0.86 RXFP1 (0.55) POLBCYP1A2CYP3A4CYP2D6RXFP1
SCHEMBL6836438 0.83 F10 (0.55) LMNAKDM4EEGFRKDRMAPT
Hydrochloric Acid SCHEMBL6833210 0.82 RXFP1 (0.57) POLBHTTNPSR1CYP1A2CYP3A4
SCHEMBL6837828 0.82 RXFP1 (0.51) HTTNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL6837816 0.82 LMNA (0.59) SMN1; SMN2ALDH1A1LMNAKMT2AKDM4E
SCHEMBL6836878 0.82 SMN1; SMN2 (0.47) POLBHTTNPSR1CYP3A4CYP2D6
SCHEMBL6837772 0.82 RXFP1 (0.59) CYP1A2CYP3A4CYP2D6RXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 POLB 1985/4885HTT 2698/4885NPSR1 2089/4885

“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.