Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL51625

N.N#Cc1cc(CN)ccc1F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.45
TRPV4 Q9HBA0 2/20 0.41
DPP4 P27487 2/20 0.40
DPP8 Q6V1X1 1/20 0.40
KHK P50053 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
NSD2 O96028 2/20 0.36
PNMT P11086 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
AR P10275 1/20 0.35
GPR52 Q9Y2T5 1/20 0.34
VNN1 O95497 1/20 0.34

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
SCHEMBL51299 0.98 LOXL2 (0.47) LOXL2TRPV4DPP4DPP8KHK
SCHEMBL31126027 0.98 LOXL2 (0.47) LOXL2TRPV4DPP4DPP8KHK
SCHEMBL1240018 0.85 TAAR1 (0.47) TRPV4DPP4DPP8MAOBPNMT
Hydrochloric Acid SCHEMBL28802791 0.83 TAAR1 (0.45) TRPV4DPP4DPP8MAOBPNMT
SCHEMBL3158141 0.82 TRPV4 (0.57) LOXL2TRPV4MAOAMAOBNSD2
SCHEMBL24872544 0.82 TRPV4 (0.45) TRPV4DPP4DPP8MAOAMAOB
Hydrochloric Acid SCHEMBL21798388 0.81 TRPV4 (0.55) LOXL2TRPV4MAOAMAOBNSD2
Hydrochloric Acid SCHEMBL6778748 0.81 TRPV4 (0.55) LOXL2TRPV4MAOAMAOBNSD2
SCHEMBL13179910 0.80 TRPV4 (0.44) TRPV4DPP4DPP8MAOAMAOB
SCHEMBL15018389 0.78 TRPV4 (0.42) TRPV4DPP4DPP8MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
CN-102036996-A Bridged heterocycles as HIV integrase inhibitors BRISTOL MYERS SQUIBB CO 2011-04-27 CN disclosed
EP-2280981-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 EP disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG LOXL2 4191/4885TRPV4 4702/4885DPP4 1850/4885

“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.