SCHEMBL4378043

SCHEMBL4378043

Nc1nc(NCCOc2ccccc2)ncc1Cc1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.40
DHFR P00374 2/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4380143 0.91 DHFR (0.43) DHFR
SCHEMBL4378068 0.85 DHFR (0.49) DHFR
SCHEMBL4375781 0.84 NPC1 (0.44) DHFRNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4376804 0.83 DHFR (0.41) VNN1DHFR
SCHEMBL4375212 0.81 DHFR (0.44) DHFR
SCHEMBL4385550 0.80 DHFR (0.52) DHFR
SCHEMBL4376993 0.78 DHFR (0.42) DHFR
SCHEMBL4376614 0.77 DHFR (0.46) DHFR
SCHEMBL4374857 0.77 DHFR (0.49) DHFR
SCHEMBL4378127 0.77 DHFR (0.49) DHFR

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
EP-1280781-B1 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-11-18 EP claimed
EP-1280781-A4 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2003-08-06 EP claimed
EP-1280781-A1 5-HT 7 RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2003-02-05 EP claimed
US-20020032199-A1 5-HT7 receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-03-14 US claimed
WO-2001085701-A1 5-HT7 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 WO claimed
EP-1280781-B1 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-11-18 EP disclosed
US-6630469-B2 Amino-pyrimidine and amino-triazine derivatives having 5-HT7 antagonist activity for the treatment of sleeping disorders, depression, schizophrenia, anxiety, obsessive compulsive disorders, cicadian rhythm disorders and hypertension BRISTOL-MYERS SQUIBB COMPANY 2003-10-07 US disclosed
US-20020032199-A1 5-HT7 receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-03-14 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-20020032199-A1 5-HT7 receptor antagonists HTR7, HTR5A, HTR1A VNN1 3668/4885DHFR 681/4885NPC1 3465/4885

“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.