SCHEMBL6621053

SCHEMBL6621053

c1ccc(C2CCC(N3CCNCC3)CC2)cc1

nearest known ligand 0.97

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.97
HPGD P15428 1/20 0.97
KMT2A Q03164 1/20 0.97
CYP2D6 P10635 1/20 0.65
CYP2C19 P33261 1/20 0.65
SLC18A3 Q16572 3/20 0.60
SIGMAR1 Q99720 1/20 0.60
GRIN2B Q13224 2/20 0.56
KHK P50053 1/20 0.53
TRPV6 Q9H1D0 6/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL6621057 1.00 SMN1; SMN2 (0.97) SMN1; SMN2HPGDKMT2ACYP2D6CYP2C19
SCHEMBL6621926 1.00 SMN1; SMN2 (0.97) SMN1; SMN2HPGDKMT2ACYP2D6CYP2C19
Trifluoroacetic Acid SCHEMBL7330887 0.87 KMT2A (0.74) SMN1; SMN2HPGDKMT2ACYP2D6CYP2C19
SCHEMBL15184744 0.83 CYP2D6 (0.83) SMN1; SMN2HPGDKMT2ACYP2D6CYP2C19
SCHEMBL7305035 0.83 KMT2A (0.69) SMN1; SMN2HPGDKMT2ACYP2D6CYP2C19
SCHEMBL2965273 0.83 SLC18A3 (0.81) SMN1; SMN2HPGDKMT2ACYP2D6CYP2C19
SCHEMBL24163290 0.81 SLC18A3 (0.79) SMN1; SMN2HPGDKMT2ACYP2D6CYP2C19
SCHEMBL28702035 0.81 CYP2D6 (0.93) SMN1; SMN2HPGDKMT2ACYP2D6CYP2C19
SCHEMBL21121132 0.80 HPGD (0.65) SMN1; SMN2HPGDKMT2ACYP2D6CYP2C19
Bromobenzene SCHEMBL27620594 0.80 KMT2A (0.65) SMN1; SMN2HPGDKMT2ACYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317134-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF RAPT THERAPEUTICS INC (US) 2021-10-14 US disclosed
EP-0891332-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER (US) 2004-03-17 EP disclosed
US-6465491-B2 NITRIC OXIDE SYNTHASE INHIBITOR; NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-10-15 US disclosed
US-20010034348-A1 6-phenylpyridyl-2-amine derivatives LOWE JOHN A (US) 2001-10-25 US disclosed
US-6235747-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC. 2001-05-22 US disclosed
EP-0891332-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1999-01-20 EP disclosed
WO-1997036871-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1997-10-09 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 (2 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-20010034348-A1 6-phenylpyridyl-2-amine derivatives NOS2, NOS3, NOS1 SMN1; SMN2 655/4885HPGD 136/4885KMT2A 1323/4885
US-20210317134-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF USP7, SENP7, USP8 SMN1; SMN2 3154/4885HPGD 3395/4885KMT2A 2614/4885

“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.