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Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4465336

COCN(Cc1ccccc1)C[Si](C)(C)C.N

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ AOC3 Q16853 1/20 0.37
▸ CALM1 P0DP23 1/20 0.37
▸ CAMKK2 Q96RR4 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ BCHE P06276 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL102928 0.98 TSHR (0.42) TSHRMAPK1ALDH1A1CNR2MGLL
SCHEMBL14673301 0.86 CNR2 (0.44) TSHRMAPK1ALDH1A1CNR2MGLL
SCHEMBL6551944 0.84 ALDH1A1 (0.40) TSHRMAPK1ALDH1A1CNR2MGLL
SCHEMBL19064329 0.83 TSHR (0.50) TSHRMAPK1ALDH1A1CNR2MGLL
SCHEMBL10711575 0.83 TSHR (0.50) TSHRMAPK1ALDH1A1CNR2MGLL
SCHEMBL3029785 0.83 TSHR (0.50) TSHRMAPK1ALDH1A1CNR2MGLL
SCHEMBL6644202 0.83 TSHR (0.50) TSHRMAPK1ALDH1A1CNR2MGLL
SCHEMBL7430317 0.81 TSHR (0.44) TSHRMAPK1ALDH1A1CNR2AOC3
SCHEMBL1796186 0.81 APLNR (0.44) ALDH1A1AOC3KDM4EMAPT
SCHEMBL6982347 0.81 PYCR1 (0.42) TSHRMAPK1ALDH1A1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618980-B2 Pyrrolo(oxo)quinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-17 — — US disclosed
US-7572805-B2 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 — — US disclosed
US-20060014778-A1 (+-)-cis 6-Methoxy-8-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline; serotonin receptor modulators; obesity, diabetes, atherosclerosis, dyslipidemia; central nervous system diseases like anxiety, depression, OCD, panic disorder, psychosis, schizophrenia, sleep and sexual disorders, BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 — — US disclosed
US-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 — — 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 (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-20060014778-A1 (+-)-cis 6-Methoxy-8-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline; serotonin receptor modulators; obesity, diabetes, atherosclerosis, dyslipidemia; central nervous system diseases like anxiety, depression, OCD, panic disorder, psychosis, schizophrenia, sleep and sexual disorders, HTR3B, HTR2C, HTR2B TSHR 768/4885MAPK1 3076/4885ALDH1A1 3212/4885
US-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands HTR2B, OPRD1, HTR1B TSHR 368/4885MAPK1 2588/4885ALDH1A1 2732/4885

“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.