SCHEMBL22113003

SCHEMBL22113003

C=C1CCC2CCC1N2C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL19799180 1.00 KCNH2 (0.33) KCNH2SIGMAR1LMNACYP2C9
SCHEMBL22113001 0.87 MAPK1 (0.42)
SCHEMBL23519792 0.74
SCHEMBL22266646 0.74
SCHEMBL23519697 0.74
SCHEMBL22266634 0.74
SCHEMBL19799174 0.73 KCNH2 (0.36) KCNH2SIGMAR1LMNACYP2C9
SCHEMBL10610010 0.73 KCNH2 (0.36) KCNH2SIGMAR1LMNACYP2C9
SCHEMBL17966147 0.73 KCNH2 (0.36) KCNH2SIGMAR1LMNACYP2C9
SCHEMBL1096051 0.73 KCNH2 (0.36) KCNH2SIGMAR1LMNACYP2C9

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-20210177826-A1 ANTI-TUMOR EFFECT POTENTIATOR USING NOVEL BIPHENYL COMPOUND TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-17 US disclosed
US-10723742-B2 Biphenyl compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-07-28 US disclosed
US-20200190175-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-06-18 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-20210177826-A1 ANTI-TUMOR EFFECT POTENTIATOR USING NOVEL BIPHENYL COMPOUND KDM1B, KDM1A, DOT1L KCNH2 752/4885SIGMAR1 2124/4885LMNA 1525/4885
US-10723742-B2 Biphenyl compound or salt thereof KDM1B, BMI1, HDAC1 KCNH2 1826/4885SIGMAR1 3412/4885LMNA 1369/4885
US-20200190175-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 INMT, CARM1, KDM1B KCNH2 3038/4885SIGMAR1 3798/4885LMNA 420/4885

“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.