SCHEMBL6768873

SCHEMBL6768873

O=C(NC[C@@H]1CC[C@H](Cc2ccccc2)CN1)Nc1cccc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
EPHX1 P07099 1/20 0.56
EPHX2 P34913 1/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 4/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
HTT P42858 4/20 0.51
LMNA P02545 3/20 0.51
TP53 P04637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
USP30 Q70CQ3 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CCR3 P51677 5/20 0.47

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
SCHEMBL6773504 1.00 POLB (0.63) POLBEPHX1EPHX2MEN1KMT2A
SCHEMBL6770695 0.91 POLB (0.59) POLBEPHX1EPHX2MEN1KMT2A
SCHEMBL6773806 0.91 POLB (0.59) POLBEPHX1EPHX2MEN1KMT2A
SCHEMBL6773866 0.89 EPHX1 (0.53) POLBEPHX1NPC1RAB9AALDH1A1
SCHEMBL6773246 0.89 EPHX1 (0.53) POLBEPHX1NPC1RAB9AALDH1A1
SCHEMBL6897754 0.89 NPC1 (0.58) POLBEPHX1NPC1RAB9ATP53
SCHEMBL6774830 0.89 NPC1 (0.58) POLBEPHX1NPC1RAB9ATP53
SCHEMBL7659127 0.89 NPC1 (0.58) POLBEPHX1NPC1RAB9ATP53
SCHEMBL6779608 0.88 KMT2A (0.48) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL6775254 0.88 KMT2A (0.48) POLBMEN1KMT2ANPC1RAB9A

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-6706735-B2 NITROGEN COMPOUNDS SUCH AS N-(3-(4-BENZYL-2-PIPERIDINYL)PROPYL )-N'-(3-CYANOPHENYL)UREA, USED AS CHEMOTACTIC CYTOKINE CONTROLLERS ADMINISTERED FOR PROPHYLAXIS OF ASTHMA, ALLERGIES AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-16 US disclosed
US-20030144273-A1 2-substituted-4-nitrogen heterocycles as modulators of chemokine receptor activity WATSON PAUL S (US) 2003-07-31 US disclosed
US-6441001-B1 2-substituted-4-nitrogen heterocycles as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-27 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-20030144273-A1 2-substituted-4-nitrogen heterocycles as modulators of chemokine receptor activity CCR3, CCR1, CCR4 POLB 3050/4885EPHX1 1111/4885EPHX2 1200/4885

“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.