SCHEMBL6860135

SCHEMBL6860135

O=C1C(Br)CCN1c1ccc(Br)cc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.39
CCR2 P41597 5/20 0.39
OPRM1 P35372 3/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM1A O60341 2/20 0.34
KDM1B Q8NB78 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RX7 Q99572 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.33
ROCK2 O75116 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
SCHEMBL4683395 0.91 CCR1 (0.40) CCR1CCR2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL6365285 0.82 KDM1A (0.39) CCR1CCR2KDM1AKDM1BSMN1; SMN2
SCHEMBL8560583 0.80 KMT2A (0.53) OPRM1ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL8560584 0.80 KMT2A (0.53) OPRM1ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL31176510 0.80 FPR2 (0.30) OPRM1ROCK2
SCHEMBL17085728 0.79 CCR1 (0.38) CCR1CCR2OPRM1ALDH1A1TSHR
SCHEMBL17080097 0.79 CCR1 (0.42) CCR1CCR2KDM1ASMN1; SMN2MAPT
SCHEMBL4683544 0.78 CCR1 (0.42) CCR1CCR2ALDH1A1HPGDTSHR
SCHEMBL27469422 0.77 ROCK2 (0.36) ROCK2
SCHEMBL6361948 0.77 FPR2 (0.48) CCR1CCR2

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-6790845-B2 HAVING AN ATTACHED NON-AROMATIC HETEROCYCLIC RING BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-14 US disclosed
US-20030087909-A1 Fused heterocyclic inhibitors of factor Xa BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-05-08 US disclosed
WO-2002080853-A2 FUSED HETEROCYCLIC INHIBITORS OF FACTOR XA BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-17 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-20030087909-A1 Fused heterocyclic inhibitors of factor Xa TFPI, F11, F12 CCR1 3879/4885CCR2 4483/4885OPRM1 4261/4885

“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.