SCHEMBL3115287

SCHEMBL3115287

CCC(N)(Oc1ccccn1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ BLM P54132 2/20 0.33
▸ SLC22A2 O15244 1/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ SLC47A1 Q96FL8 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2D6 P10635 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
SCHEMBL2763256 0.75 KCNN4 (0.39) KCNH2ALOX15ALDH1A1KIF11KCNN4
SCHEMBL21579326 0.74 TSHR (0.41) CHRM2TSHRGABRA5BLMKCNH2
SCHEMBL9289408 0.73 KCNN4 (0.41) CYP3A4ALOX15ALDH1A1CYP2D6KIF11
SCHEMBL290393 0.73 TSHR (0.37) TSHRGABRA5BLMKCNH2NPC1
SCHEMBL9288039 0.71 KCNN4 (0.42) KCNH2ALOX15ALDH1A1CYP2D6KIF11
SCHEMBL5520187 0.71 TSHR (0.43) TSHRNPC1ALDH1A1LMNACYP1A2
SCHEMBL6825891 0.70 SCN4A (0.39) TSHRALOX15NPC1ALDH1A1KDM4E
SCHEMBL3369844 0.70 TSHR (0.48) TSHRNPC1ALDH1A1LMNACYP1A2
SCHEMBL10640000 0.70 TSHR (0.36) TSHRGABRA5ALDH1A1CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL7409176 0.70 KCNN4 (0.41) KCNH2ALOX15ALDH1A1KIF11KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10188758-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2019-01-29 — — US disclosed
US-20180099060-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2018-04-12 — — US disclosed
EP-3270920-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2018-01-24 — — EP disclosed
WO-2016154027-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2016-09-29 — — WO disclosed
EP-2161998-B1 Pyridine derivatives as NET/SERT modulators INTRA CELLULAR THERAPIES INC (US) 2015-09-02 — — EP disclosed
US-8183266-B2 Methods INTRA-CELLULAR THERAPIES, INC. (US) 2012-05-22 — — US disclosed
US-20100173951-A1 NOVEL METHODS INTRA-CELLULAR THERAPIES, INC. 2010-07-08 — — US disclosed
EP-2161998-A1 NOVEL METHODS Intra-Cellular Therapies, Inc. (US) 2010-03-17 — — EP disclosed
WO-2008150528-A1 NOVEL METHODS INTRA-CELLULAR THERAPIES, INC. (US) 2008-12-11 — — 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 (3 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-10188758-B2 Organic compounds SLC6A2, PNMT, SLC6A4 CHRM2 357/4885TSHR 1576/4885GABRA5 732/4885
US-20100173951-A1 NOVEL METHODS SLC6A4, SLC6A2, TPH1 CHRM2 584/4885TSHR 810/4885GABRA5 513/4885
US-20180099060-A1 ORGANIC COMPOUNDS SLC6A2, PNMT, SLC6A4 CHRM2 357/4885TSHR 1576/4885GABRA5 732/4885

“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.

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